SCHEMBL26615959

SCHEMBL26615959

COC(=O)c1ccc(C2CC(F)(F)C2)cc1C1CCC(F)(F)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
SCN9A Q15858 5/20 0.35
SCN5A Q14524 2/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
PDK2 Q15119 2/20 0.34
PDK4 Q16654 2/20 0.34
TBK1 Q9UHD2 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
EPHX2 P34913 1/20 0.33
KDM1A O60341 3/20 0.32
SLC6A3 Q01959 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL26739286 0.86 SCN9A (0.37) SCN9AKDM4EALDH1A1PDK2PDK4
SCHEMBL26608395 0.86 SCN9A (0.37) SCN9AKDM4EALDH1A1PDK2PDK4
SCHEMBL26739283 0.86 SCN9A (0.37) SCN9AKDM4EALDH1A1PDK2PDK4
SCHEMBL26616014 0.84 TBK1 (0.43) HDAC1HDAC2TBK1KDM1A
SCHEMBL16070840 0.81 HDAC1 (0.40) HDAC1HDAC2SCN9ASCN5AKDM4E
SCHEMBL12487997 0.80 HTT (0.39) KDM4EALDH1A1PDK2PDK4CA12
SCHEMBL26615769 0.80 CFTR (0.40) SCN9ASCN5AKDM4EALDH1A1PDK2
SCHEMBL26116353 0.80 ALDH1A1 (0.49) HDAC1HDAC2KDM4EALDH1A1PDK2
SCHEMBL16056036 0.79 MEN1 (0.40) KDM4EALDH1A1PDK2PDK4CA12
SCHEMBL26608308 0.79 PDK2 (0.40) ALDH1A1PDK2PDK4CA12CA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12503439-B2 Heteroaryl compounds for the treatment of pain VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-12-23 US disclosed
EP-4511116-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN Vertex Pharmaceuticals Incorporated (US) 2025-02-26 EP disclosed
US-20230373925-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED 2023-11-23 US disclosed
US-20230373925-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED 2023-11-23 US disclosed
US-20230373925-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED 2023-11-23 US disclosed
WO-2023205463-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-10-26 WO disclosed
WO-2023205463-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-10-26 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230373925-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN TRPV1, SCN3A, KCNN3 HDAC1 621/4885HDAC2 589/4885SCN9A 41/4885
US-12503439-B2 Heteroaryl compounds for the treatment of pain TRPV1, SCN3A, KCNN3 HDAC1 621/4885HDAC2 589/4885SCN9A 41/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.